SCHEMBL19181306

SCHEMBL19181306

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2ncccc2C[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.43
MME P08473 1/20 0.43
SCN9A Q15858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19181285 1.00 ACE (0.43) ACEMMESCN9A
SCHEMBL19181283 1.00 ACE (0.43) ACEMMESCN9A
SCHEMBL17062864 0.91 CMA1 (0.41) ACESCN9A
SCHEMBL17062865 0.91 CMA1 (0.41) ACESCN9A
SCHEMBL17094842 0.86 CTSL (0.39) ACESCN9A
SCHEMBL17094845 0.86 CTSL (0.39) ACESCN9A
SCHEMBL19181973 0.85 ACE (0.40) ACESCN9A
SCHEMBL17094791 0.85 AAK1 (0.43) ACEMMESCN9A
SCHEMBL19181972 0.85 ACE (0.40) ACESCN9A
SCHEMBL17094790 0.85 AAK1 (0.43) ACEMMESCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2020-02-27 US disclosed
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2019-04-02 US disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 ACE 3216/4885MME 1572/4885SCN9A 2377/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 ACE 3216/4885MME 1572/4885SCN9A 2377/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 ACE 3216/4885MME 1572/4885SCN9A 2377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.